#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod13.hess" end

* xyz 1 1
  C          -0.82236324571333     -3.19459470335152     -0.48512205168467
  C           0.13365170494829     -2.87289990554281      0.49451665371947
  C           0.82238926123919     -1.67490702135168      0.40590408825738
  C           0.56183562614433     -0.77463783032044     -0.66553256895653
  C          -0.40913223761047     -1.12720292520224     -1.64700844620143
  C          -1.09138354369119     -2.32825627170244     -1.55311966840836
  H           1.56927571792627     -1.41247820231682      1.16292267393789
  H          -0.60960724309600     -0.45674040194203     -2.48544174134653
  H          -1.83115144992213     -2.60329964456139     -2.30831973929359
  C           1.30291720038163      0.42352472837820     -0.72925477861202
  H           2.08494786978640      0.55398931520989      0.02982797998646
  H           2.04123563867030      2.04997443770195     -1.90931047300599
  H           0.47839736059095      1.37177103210793     -2.50136843567359
  C           0.36513330895584      2.41483777635158     -0.56423454897605
  C          -1.01804472319280      2.26506434288338     -0.37844102548894
  C           1.08521781271864      3.31645270947768      0.23716355582347
  C          -1.68341258256785      3.05016746673471      0.55976101490264
  H          -1.58031836549825      1.54373925075121     -0.97916199163954
  C           0.41678908459567      4.09429328120197      1.17902002344153
  H           2.16539842947085      3.43029496089945      0.10183753222278
  C          -0.96611744775254      3.96269563975597      1.33874984292117
  H          -2.76399104528722      2.94892176824445      0.68722051616366
  H           0.97437802767010      4.81091123219521      1.78709906784779
  H          -1.48863352609002      4.57467085984092      2.07875444766201
  C           1.09893738748011      1.56699500879860     -1.62009947173782
  H          -1.34772545419963     -4.15031991129524     -0.38740722773890
  C           0.38334151283660     -3.84354251714634      1.61716619466115
  O          -0.21352357324879     -4.88059673318613      1.70905203634029
  H           1.15929312445505     -3.53500365261404      2.35854174087628
*

